SCHEMBL9814705

SCHEMBL9814705

O/N=C/c1cnn(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 1.00
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 3/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9814708 1.00 P2RX7 (1.00) P2RX7HTTALOX15MEN1KMT2A
SCHEMBL27786434 0.78 P2RX7 (0.63) P2RX7HTTMEN1KMT2ASMN1; SMN2
SCHEMBL9814514 0.77 P2RX7 (0.62) P2RX7MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11605633 0.70 P2RX7 (0.58) P2RX7HTTMEN1KMT2ASMN1; SMN2
SCHEMBL9468809 0.67 P2RX7 (0.55) P2RX7HTTMEN1KMT2ASMN1; SMN2
SCHEMBL458507 0.66 P2RX7 (0.53) P2RX7MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL1037429 0.66 P2RX7 (0.53) P2RX7HTTMEN1KMT2ASMN1; SMN2
SCHEMBL18039129 0.66 P2RX7 (0.53) P2RX7MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL1752087 0.66 P2RX7 (0.53) P2RX7MEN1KMT2ARAB9AKDM4E
SCHEMBL17279823 0.64 KDM4E (0.56) P2RX7HTTALOX15MEN1KMT2A

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-0150984-B1 6-(SUBSTITUTED) METHYLENEPENICILLANIC AND 6-(SUBSTITUTED) HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1991-09-11 EP disclosed
US-5015473-A Beta-lactamase inhibitors PFIZER INC. (US) 1991-05-14 US disclosed