SCHEMBL8517656

SCHEMBL8517656

CCCn1nc(N)cc1-c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
SMN1; SMN2 Q16637 7/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL8374753 0.87 KDM4C (0.43) GAAKDM4CKDM5BSMN1; SMN2MAPT
SCHEMBL8375341 0.85 SMPD1 (0.45) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8375164 0.83 SMPD1 (0.49) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL8517784 0.83 TLR8 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL23403306 0.81 ADORA2A (0.41) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8374724 0.74 MAPT (0.47) GAAMAPTKMT2AKDM4ETLR8
SCHEMBL8374733 0.73 ADORA2A (0.44) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL23401283 0.72 SMPD1 (0.43) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL8038804 0.71 GAA (0.38) GAASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL17928424 0.71 TLR8 (0.39) GAAKDM4CKDM5BSMN1; SMN2MAPT

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
EP-0900206-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1999-03-10 EP claimed
WO-1997042173-A1 NEW DIAMINO PYRAZOLS, THEIR SYNTHESIS, KERATIN FIBRE DYEING COMPOSITIONS CONTAINING THEM, KERATIN FIBRE DYEING METHODS L'OREAL (FR) 1997-11-13 WO claimed