SCHEMBL8701883

SCHEMBL8701883

c1ccc(CCCC2CCNC(CCn3cncn3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
PLG P00747 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
Hydrochloric Acid SCHEMBL8701149 0.99 CYP19A1 (0.39) CYP19A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL8698749 0.80 HMOX1 (0.41) CYP19A1MAPTALDH1A1KDM4EPOLB
SCHEMBL8539485 0.76 HRH3 (0.51)
Hydrochloric Acid SCHEMBL8541843 0.75 HRH3 (0.50)
SCHEMBL8701879 0.74 ALDH1A1 (0.37) LMNAMAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8701141 0.74 ALDH1A1 (0.36) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL8545347 0.74 SIGMAR1 (0.53)
SCHEMBL6648239 0.72 CYP19A1 (0.62) CYP19A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL9820752 0.72 PLG (0.40) PLG
SCHEMBL9820857 0.71 CCR3 (0.41) PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed