SCHEMBL8396997

SCHEMBL8396997

CCOC(=O)c1cnc(Cl)nc1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
CYP1A2 P05177 5/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
POLB P06746 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49

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
SCHEMBL20328544 0.87 RAB9A (0.55) RAB9ANPSR1KDM4EMEN1KMT2A
SCHEMBL8394445 0.86 RAB9A (0.54) RAB9ANPSR1KDM4EMEN1KMT2A
SCHEMBL2649963 0.85 MEN1 (0.52) RAB9ANPSR1KDM4EMEN1KMT2A
SCHEMBL31751454 0.82 RAB9A (0.51) RAB9ANPSR1KDM4EMEN1KMT2A
SCHEMBL8399318 0.82 HSP90AA1 (0.54) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL8394391 0.81 RAB9A (0.59) RAB9ANPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18309313 0.81 NFKB1 (0.52) RAB9ANPSR1KDM4EMEN1KMT2A
SCHEMBL31751196 0.81 KDM4E (0.49) RAB9ANPSR1KDM4EMEN1KMT2A
SCHEMBL31357739 0.80 HSP90AA1 (0.70) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL8397025 0.80 HSP90AA1 (0.70) RAB9AKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935966-A COMPOUNDS THAT BLOCK THE ACTIVATION OF TRANSCRIPTION FACTORS THROUGH INHIBITION OF A FAMILY OF SPECIFIC KINASES, DECREASING PROINFLAMMATORY PROTEINS TO TREAT AUTOIMMUNE DISEASES AND AS GENERAL ANTIINFLAMMATORY AGENTS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-10 US disclosed
US-5852028-A Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions SIGNAL PHARMACEUTICALS, INC. (US) 1998-12-22 US disclosed
WO-1998038171-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
WO-1997009325-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 WO disclosed