SCHEMBL8617539

SCHEMBL8617539

Cn1ccnc1SCc1ccccc1-n1ccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.58
KMT2A Q03164 3/20 0.48
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDO1 P14902 1/20 0.42
HTR5A P47898 1/20 0.42
HSD17B3 P37058 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL8617541 0.81 HTR5A (0.40) ELANEKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8619287 0.78 IDO1 (0.51) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3228422 0.74 IDO1 (0.58) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9012435 0.73 ELANE (0.53) ELANEKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8617542 0.72 HTR5A (0.42) KMT2APOLBCYP1A2CYP3A4CYP2D6
SCHEMBL26731495 0.70 IDO1 (0.53) KMT2APOLBCYP1A2CYP3A4CYP2D6
SCHEMBL8436958 0.70 IDO1 (0.61) KMT2APOLBCYP1A2CYP3A4CYP2D6
SCHEMBL2463222 0.70 IDO1 (0.56) KMT2APOLBCYP1A2CYP3A4CYP2D6
SCHEMBL26728947 0.69 IDO1 (0.51) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8619289 0.69 IDO1 (0.47) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9

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-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed