SCHEMBL11339381

SCHEMBL11339381

N#CCc1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
PSMB8 P28062 1/20 0.59
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
BACE1 P56817 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
EGFR P00533 5/20 0.51
ERBB2 P04626 3/20 0.51
F10 P00742 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
IDO1 P14902 1/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31516296 1.00 TDP1 (0.64) TDP1PSMB8RAB9AALDH1A1HTR3E
SCHEMBL11339364 0.87 TDP1 (0.47) TDP1PSMB8RAB9AALDH1A1EGFR
SCHEMBL31516298 0.81 KMT2A (0.66) RAB9AALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL8985181 0.81 KMT2A (0.66) RAB9AALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3391734 0.81 GRIN1 (0.55) RAB9AALDH1A1EGFRCYP1A2CYP2D6
SCHEMBL31516312 0.81 IDO1 (0.60) TDP1EGFRF10IDO1KDM4E
SCHEMBL6311477 0.80 GAA (0.62) TDP1RAB9AF10MEN1KMT2A
SCHEMBL30040705 0.80 TDP1 (0.72) TDP1PSMB8RAB9AALDH1A1HTR3E
SCHEMBL656416 0.80 TDP1 (0.72) TDP1PSMB8RAB9AALDH1A1HTR3E
SCHEMBL11295712 0.79 PARP1 (0.43) TDP1PSMB8CYP2C9HPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110872288-A Method for synthesizing benzimidazole [1,2-a ] quinoline compound 浙江工业大学 2020-03-10 CN disclosed
US-4268668-A FOR WOOL AND POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4237286-A COLORING PLASTICS AND LACQUERS IN YELLOW TO RED SHADES CIBA-GEIGY CORPORATION (US) 1980-12-02 US disclosed
US-4237293-A COLORFAST SHADES OF YELLOW TO RED FOR PLASTICS AND LACQUERS CIBA-GEIGY CORPORATION (US) 1980-12-02 US disclosed
US-4237292-A SHADES OF YELLOW TO RED FOR PLASTICS AND LACQUERS CIBA-GEIGY CORPORATION (US) 1980-12-02 US disclosed
US-4132708-A Metal complexes of azomethines and process for their manufacture CIBA-GEIGY CORPORATION (US) 1979-01-02 US disclosed
US-4111947-A DYES, PLASTICS, LACQUERS CIBA-GEIGY CORPORATION (US) 1978-09-05 US disclosed
US-4097484-A ORGANIC PIGMENTS, PLASTICS CIBA-GEIGY CORPORATION (US) 1978-06-27 US disclosed
US-4079052-A Diazopigments containing pyridine derivatives CIBA-GEIGY CORPORATION (US) 1978-03-14 US disclosed
US-4051099-A ISOINDOLES CIBA-GEIGY CORPORATION (US) 1977-09-27 US disclosed
US-4022770-A COLORING CIBA-GEIGY CORPORATION (US) 1977-05-10 US disclosed
US-4012371-A Benzinaldazolyl-, quinolonyl-, or phenmorpholonylazo-3-cyano-4-methyl-1,2-[1',2']-benz-[4',5']-imidazolo-6-hydroxypyridine colorants CIBA-GEIGY CORPORATION (US) 1977-03-15 US disclosed
US-4002635-A FOR COLORING PLASTICS AND LACQUERS CIBA-GEIGY CORPORATION (US) 1977-01-11 US disclosed
US-3994899-A METHINE CIBA-GEIGY CORPORATION (US) 1976-11-30 US disclosed