SCHEMBL14567632

SCHEMBL14567632

CC(=O)Nc1cccc2c(O)c(C(=O)Nc3ccccc3Cl)cc(C)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ RAB9A P51151 2/20 0.47
▸ DHODH Q02127 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TNF P01375 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.47
▸ AR P10275 1/20 0.45
▸ CBR1 P16152 1/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL14422306 0.84 CYP1A2 (0.56) CYP1A2CYP2C19HPGDRAB9ADHODH
SCHEMBL2702701 0.74 HPGD (0.66) CYP1A2CYP2C19HPGDRAB9ADHODH
SCHEMBL10105952 0.74 NPC1 (0.57) CYP1A2CYP2C19HPGDRAB9ADHODH
SCHEMBL14567628 0.73 RAB9A (0.56) HPGDRAB9AKMT2ATNFNOD1
SCHEMBL646296 0.73 HPGD (0.66) CYP1A2CYP2C19HPGDRAB9AKMT2A
SCHEMBL29524654 0.73 HPGD (0.66) CYP1A2CYP2C19HPGDRAB9AKMT2A
SCHEMBL25434232 0.72 TNF (0.57) CYP1A2CYP2C19HPGDKMT2ATNF
Hydrochloric Acid SCHEMBL27337962 0.72 HPGD (0.63) CYP1A2CYP2C19HPGDRAB9AKMT2A
SCHEMBL13164048 0.71 HPGD (0.74) CYP1A2CYP2C19HPGDRAB9ADHODH
SCHEMBL11339110 0.71 MEN1 (0.68) CYP1A2CYP2C19HPGDRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070065764-A1 Black and white photothermographic material and image forming method FUJI PHOTO FILM CO., LTD. 2007-03-22 — — US disclosed
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