SCHEMBL11200633

SCHEMBL11200633

C=C(C)n1c(=O)n(CCCCl)c2cc(C)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ATM Q13315 1/20 0.43
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TACR1 P25103 3/20 0.35
OPRM1 P35372 3/20 0.35
PGR P06401 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
CXCR3 P49682 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL11199179 0.95 MEN1 (0.52) MEN1KMT2AATMTHRBTDP1
SCHEMBL507642 0.83 MEN1 (0.60) MEN1KMT2AATMTACR1OPRM1
SCHEMBL7148607 0.80 MEN1 (0.59) MEN1KMT2AATMTACR1OPRM1
SCHEMBL11710858 0.80 KMT2A (0.52) MEN1KMT2AATMTACR1OPRM1
SCHEMBL11196860 0.78 MEN1 (0.58) MEN1KMT2AATMTACR1OPRM1
SCHEMBL11198749 0.78 MEN1 (0.58) MEN1KMT2AATMTACR1OPRM1
SCHEMBL1185879 0.75 MEN1 (0.63) MEN1KMT2AATMTACR1OPRM1
SCHEMBL11200833 0.74 P2RX7 (0.52) MEN1KMT2AOPRM1LMNA
SCHEMBL14615684 0.73 KMT2A (0.45) MEN1KMT2AATMTDP1TACR1
SCHEMBL11711037 0.71 HTR2A (0.47) SMN1; SMN2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4377578-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1983-03-22 US disclosed
US-4250176-A BENZIMIDAZOLE-2-ONE, BENZOTHIAZOL-2-ONE, OR BENZOXAZOL-2-ONE SUBSTITUTIONS, ANTIANAPHALACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1981-02-10 US disclosed
US-4200641-A ANTIANAPHYLACTIC AGENTS, ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-04-29 US disclosed
US-4035369-A 1-Benzazolylalkyl-4-substituted-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1977-07-12 US disclosed