SCHEMBL17463758

SCHEMBL17463758

Nc1ccc(-c2ccc3[nH]c4ccc5c6ccccc6sc5c4c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CDK4 P11802 3/20 0.40
▸ CCND1 P24385 3/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TNKS O95271 2/20 0.39
▸ TNKS2 Q9H2K2 2/20 0.39
▸ LIMK1 P53667 3/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ GABRP O00591 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
SCHEMBL14652763 0.91 CDK4 (0.49) MAPTRAB9AALDH1A1HPGDCDK4
SCHEMBL30104215 0.91 CDK4 (0.49) MAPTRAB9AALDH1A1HPGDCDK4
SCHEMBL24728627 0.84 CDK4 (0.50) MAPTRAB9ACDK4CCND1MEN1
SCHEMBL17117653 0.83 ALOX5 (0.56) MAPTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL17117700 0.83 CDK4 (0.51) MAPTRAB9AALDH1A1HPGDCDK4
SCHEMBL14653419 0.83 CDK4 (0.51) MAPTRAB9AALDH1A1HPGDCDK4
SCHEMBL14951590 0.82 GABRA1 (0.45) MAPTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL18020089 0.81 TNKS (0.45) MAPTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL26536414 0.81 CDK4 (0.49) MAPTRAB9AALDH1A1HPGDCDK4
SCHEMBL17117711 0.81 CDK4 (0.49) MAPTRAB9AALDH1A1HPGDCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016013875-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-28 — — WO disclosed
Send feedback