SCHEMBL9596704

SCHEMBL9596704

O=c1oc2ncccc2n1CCBr

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 4/20 0.39
MAPK1 P28482 3/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
NPC1 O15118 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
SCHEMBL9597080 0.91 ALDH1A1 (0.45) ALDH1A1NPSR1TSHRSMN1; SMN2RAB9A
SCHEMBL9263753 0.90 ALDH1A1 (0.48) ALDH1A1NPSR1TSHRSMN1; SMN2RAB9A
SCHEMBL9219866 0.80 TMEM97 (0.49)
SCHEMBL9221444 0.79 SIGMAR1 (0.49) ALDH1A1LMNAKDM4EPOLB
SCHEMBL9597086 0.79 TMEM97 (0.51)
SCHEMBL9213014 0.76 HTR1A (0.49)
SCHEMBL9215613 0.76 EGFR (0.48)
SCHEMBL9589803 0.75 KDM4E (0.58) ALDH1A1NPSR1TSHRMAPK1LMNA
SCHEMBL6008209 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDKDM4EKMT2A
SCHEMBL9215528 0.74 HTR7 (0.59)

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
US-5242923-A Analgesics ADIR ET COMPAGNIE (FR) 1993-09-07 US disclosed
US-5130311-A Analgesics or antiinflammatory agents ADIR ET COMPAGNIE (FR) 1992-07-14 US disclosed