SCHEMBL8343140

SCHEMBL8343140

Brc1ccc(-c2csc(-n3cnc4ccccc43)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53
TUBB6 Q9BUF5 1/20 0.53
TUBB2B Q9BVA1 1/20 0.53
TUBB1 Q9H4B7 1/20 0.53
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 8/20 0.49
KMT2A Q03164 8/20 0.49
MEN1 O00255 5/20 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
SCHEMBL8346864 0.86 KMT2A (0.57) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8345591 0.83 HTT (0.59) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8343426 0.78 FGFR1 (0.56) RAB9ASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL8346644 0.75 FGFR1 (0.60) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8346599 0.73 FGFR1 (0.60) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8347592 0.73 CYP19A1 (0.51) KMT2AALDH1A1HTT
SCHEMBL8346813 0.73 FGFR1 (0.47) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL3496264 0.73 HTT (0.72) RAB9ASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL8343829 0.72 AR (0.52) RAB9ASMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL366895 0.71 HTT (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958950-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1999-09-28 US claimed
US-5958950-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1999-09-28 US disclosed