SCHEMBL9837301

SCHEMBL9837301

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C4CCC3CN(C)C4)nc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.62
CYP2C9 P11712 1/20 0.62
ATP6V1B2 P21281 1/20 0.62
TBXA2R P21731 1/20 0.62
EDNRA P25101 1/20 0.62
TARBP2 Q15633 1/20 0.62
DRD3 P35462 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ABCC4 O15439 2/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
DPP4 P27487 6/20 0.47
CHRM2 P08172 1/20 0.47
DRD1 P21728 1/20 0.47
CASP1 P29466 1/20 0.45
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
NPC1 O15118 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
SCHEMBL9838598 0.87 LMNA (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9837590 0.87 LMNA (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9837356 0.87 DPP4 (0.60) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9838649 0.87 LMNA (0.60) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL9837293 0.86 LMNA (0.59) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10675814 0.85 LMNA (0.69) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9837577 0.84 LMNA (0.58) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9837392 0.83 LMNA (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9837624 0.82 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL4904141 0.82 LMNA (0.79) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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
EP-0159174-B1 SUBSTITUTED NAPHTHYRIDINE-, QUINOLINE- AND BENZOXAZINE- CARBOXYLIC ACIDS AS ANTIBACTERIAL AGENTS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1991-10-23 EP disclosed