SCHEMBL9589232

SCHEMBL9589232

C=C(CCc1ccccc1)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
GPR52 Q9Y2T5 1/20 0.47
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 4/20 0.45
HIF1A Q16665 2/20 0.44
KEAP1 Q14145 1/20 0.44
NPY5R Q15761 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
HPGD P15428 1/20 0.43
PLOD1 Q02809 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL6442887 0.86 KEAP1 (0.52) TDP1RAB9AKEAP1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL6356557 0.79 GAA (0.47) TDP1RAB9AGPR52CYP1A2CYP3A4
SCHEMBL11304333 0.78 TDP1 (0.62) TDP1LMNARAB9AGPR52CYP1A2
SCHEMBL17010799 0.78 KEAP1 (0.44) TDP1RAB9AKEAP1ALDH1A1KMT2A
SCHEMBL3988722 0.76 ESR1 (0.48) CYP2C19ALDH1A1FFAR1KDM4E
SCHEMBL21042137 0.74 FFAR1 (0.41) TDP1RAB9AKEAP1ALDH1A1HPGD
SCHEMBL1276188 0.73 MAPT (0.55) TDP1RAB9ASMN1; SMN2
SCHEMBL2025813 0.73 TSHR (0.50) TDP1RAB9AKEAP1ALDH1A1FFAR1
SCHEMBL9114210 0.73 CYP1A2 (0.65) TDP1LMNARAB9ACYP1A2CYP3A4
SCHEMBL25986973 0.71 KDM4E (0.46) TDP1LMNARAB9ACYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262420-A Phenylalkylpyridines IDEMITSU KOSAN CO., LTD. (JP) 1993-11-16 US disclosed
EP-0383950-A1 PYRIDINE DERIVATIVES AND INSECTICIDAL AND MITICIDAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-08-29 EP disclosed