SCHEMBL8430960

SCHEMBL8430960

CC(C)OC(=O)N(N)[C@](C(=O)O)(C(=C=O)c1ccccc1)c1cccc(NC=NN)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 4/20 0.33
ALOX12 P18054 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CCR6 P51684 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 1/20 0.31
RXFP1 Q9HBX9 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8432442 0.93 HPGD (0.36) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL8431235 0.91 RXFP1 (0.32) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8431423 0.90 DHODH (0.34) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL8429055 0.89 TRPV4 (0.35) MAPTKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL8428895 0.89 TRPV4 (0.35) MAPTKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL8429159 0.89 NR1H4 (0.32) MAPTRAB9AALDH1A1KMT2AHPGD
SCHEMBL8432437 0.88 RXFP1 (0.38) MAPTGAAKMT2ACYP1A2CYP3A4
SCHEMBL8431037 0.88 DHODH (0.37) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8432441 0.87 KMT2A (0.32) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8431435 0.86 CA1 (0.32) MAPTNPC1RAB9ASMN1; SMN2HTT

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-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US claimed
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed