SCHEMBL23690474

SCHEMBL23690474

Nc1c(Cl)cc(Cl)c2c1sc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
LIMK1 P53667 2/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
GPR3 P46089 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39
IKBKB O14920 1/20 0.39
KDM4E B2RXH2 3/20 0.38
PTPN1 P18031 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL23690473 0.79 GPR3 (0.40) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24588656 0.78 GPR3 (0.48) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24589044 0.78 GPR3 (0.48) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24295940 0.76 GPR3 (0.41) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24588630 0.73 GPR3 (0.46) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24589027 0.73 GPR3 (0.46) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3887852 0.72 ALDH1A1 (0.41) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3873398 0.72 MAPT (0.40) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24028834 0.72 NQO2 (0.45) MAPTALDH1A1HPGDRAB9ALOXL2
SCHEMBL21862373 0.71 MAPT (0.40) MAPTRAB9ALOXL2LIMK1CDK5

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
US-20210234104-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-07-29 US disclosed