SCHEMBL19987055

SCHEMBL19987055

Cc1cc(F)c(-n2cc(C(=O)NC(C)(C)C(F)(F)F)c(=O)c3cc(F)c(N4CCOCC4)nc32)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.41
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
ATP6V1B2 P21281 1/20 0.40
TBXA2R P21731 1/20 0.40
EDNRA P25101 1/20 0.40
TARBP2 Q15633 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
XBP1 P17861 1/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL29981071 0.94 LMNA (0.41) IMPDH2LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL21292626 0.94 LMNA (0.41) IMPDH2LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL19986885 0.89 KMT2A (0.40) IMPDH2LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL19987081 0.84 LMNA (0.41) IMPDH2LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL19987049 0.83 IMPDH2 (0.41) IMPDH2LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL29457321 0.83 IMPDH2 (0.41) IMPDH2LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL19986944 0.83 KMT2A (0.43) IMPDH2LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL19986980 0.81 KDM4E (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL19986876 0.81 KDM4E (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL19971376 0.81 KDM4E (0.46) 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
WO-2018050510-A1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-03-22 WO disclosed