SCHEMBL18647209

SCHEMBL18647209

Brc1ccc2c(c1)[nH]c1cc3sc4ccccc4c3cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
GPR3 P46089 2/20 0.44
AHR P35869 1/20 0.43
CCNB2 O95067 3/20 0.40
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
CDK5 Q00535 3/20 0.40
CDK5R1 Q15078 3/20 0.40
CCNB3 Q8WWL7 3/20 0.40
CCNT1 O60563 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
EIF2AK2 P19525 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 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
SCHEMBL19830543 0.91 AR (0.45) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL23162520 0.89 AHR (0.46) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL16946908 0.87 GPR3 (0.40) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL29470197 0.85 AHR (0.61) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL31850 0.85 AHR (0.61) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL29506383 0.85 AHR (0.61) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL16999821 0.81 AHR (0.65) MAPTALDH1A1RAB9AHPGDGPR3
SCHEMBL258838 0.81 GPR3 (0.61) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL29601409 0.81 GPR3 (0.61) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL29887048 0.81 GPR3 (0.61) MAPTALDH1A1RAB9ASMN1; SMN2HPGD

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-2017043835-A1 ORGANIC ELECTRONIC DIODE COMPOUND, ORGANIC ELECTRONIC DIODE USING SAME, AND DEVICE THEREFOR 덕산네오룩스 주식회사 2017-03-16 WO disclosed