SCHEMBL27768533

SCHEMBL27768533

O=C(c1nc(-c2ccccc2)no1)c1nc(-c2ccccc2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.57
NOTUM Q6P988 2/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 1/20 0.51
GPR55 Q9Y2T6 1/20 0.50
CHUK O15111 1/20 0.50
CASP3 P42574 1/20 0.50
TXNRD1 Q16881 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NOX4 Q9NPH5 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
SMPD1 P17405 1/20 0.48
S1PR1 P21453 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAPT P10636 3/20 0.47

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
SCHEMBL9782247 0.93 NR1H4 (0.53) NR1H4NOTUMNPC1RAB9AALDH1A1
SCHEMBL1326759 0.89 NR1H4 (0.57) NR1H4NOTUMNPC1RAB9AALDH1A1
SCHEMBL29518574 0.85 NR1H4 (0.53) NR1H4NOTUMNPC1RAB9AALDH1A1
SCHEMBL31323246 0.85 NPC1 (0.60) NR1H4NOTUMNPC1RAB9AALDH1A1
SCHEMBL27789974 0.83 MAPT (0.56) NPC1RAB9AALDH1A1SMN1; SMN2S1PR1
SCHEMBL28816316 0.82 NOTUM (0.51) NR1H4NOTUMNPC1RAB9AALDH1A1
SCHEMBL2563085 0.81 GAA (0.68) NR1H4NOTUMNPC1RAB9AALDH1A1
SCHEMBL27768478 0.81 CHRNB2 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL6207156 0.80 ALDH1A1 (0.51) NR1H4NOTUMNPC1RAB9AALDH1A1
SCHEMBL6635027 0.80 HPGD (0.54) NR1H4NOTUMALDH1A1SMN1; SMN2POLB

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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed