SCHEMBL6935175

SCHEMBL6935175

C=CCSc1ccc(Oc2ccc(C)cc2)nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.33
TP53 P04637 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6939920 0.85 BCAT2 (0.46) MEN1KMT2AKDM4ERAB9AGAA
SCHEMBL6935025 0.84 MAP4K4 (0.38) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL6939446 0.80 ALDH1A1 (0.38) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL6937380 0.78 RAB9A (0.59) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL6937102 0.76 RAB9A (0.40) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL6939698 0.75 NPC1 (0.44) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL6940408 0.75 ACACB (0.36) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6942005 0.75 RAB9A (0.33) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL6938648 0.74 RAB9A (0.42) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL12717349 0.73 TEAD4 (0.42) MEN1KMT2AKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1147477-C Novel allylthiopyridazine derivative and process for producing the same ��ʽ���纺����ҩ 2004-04-28 CN disclosed
EP-1058681-B1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM CO LTD (KR) 2003-05-07 EP disclosed
EP-1058681-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME Seoul Pharm. Co., Ltd. (KR) 2000-12-13 EP disclosed
US-5942511-A PROTECTION OF HUMAN TISSUE FROM RADIATION Kwon, Soon Kyoung (KR) 1999-08-24 US disclosed
WO-1999036407-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM. CO., LTD. (KR) 1999-07-22 WO disclosed