SCHEMBL6984727

SCHEMBL6984727

CC1(C)C=Cc2cc(-c3nc(N)nc(N)n3)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CA7 P43166 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HIF1A Q16665 7/20 0.40
EPAS1 Q99814 7/20 0.40
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
COXFA4 O00483 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
SCHEMBL22468059 0.80 HIF1A (0.36) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL2012004 0.75 HIF1A (0.46) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL9092974 0.72 HIF1A (0.46) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL8129452 0.71 HIF1A (0.38) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL7738844 0.70 HIF1A (0.58) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL3049240 0.70 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL9092213 0.69 HIF1A (0.44) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL9092249 0.69 HIF1A (0.46) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL9092059 0.69 HIF1A (0.40) RAB9ANPC1ALDH1A1HPGDPOLB
SCHEMBL8218950 0.69 NISCH (0.51) HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 US claimed
EP-1037886-A1 TRIAZINE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2000-09-27 EP claimed
WO-1999031088-A1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-06-24 WO claimed
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP disclosed
US-6288228-B1 DIAMINOTRIAZINE DERIVATIVES ABBOTT LABORATORIES 2001-09-11 US disclosed
US-6150362-A ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES ABBVIE INC. 2000-11-21 US disclosed
EP-1037886-A1 TRIAZINE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2000-09-27 EP disclosed
WO-1999031088-A1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-06-24 WO disclosed