SCHEMBL9475840

SCHEMBL9475840

O=C(O)CN1C=c2ccccc2=CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GLA P06280 1/20 0.35
AKR1B1 P15121 1/20 0.34
SLC6A9 P48067 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL8687902 0.80 FABP4 (0.44) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL29139837 0.76 KMT2A (0.37) APEX1KDM4ECA12CA9KMT2A
SCHEMBL29874749 0.71 KDM4E (0.35) APEX1KDM4ECA12CA9KMT2A
SCHEMBL8132034 0.65 TSHR (0.45) APEX1KDM4ECA12CA9KMT2A
SCHEMBL16649247 0.64 HTT (0.32) KMT2A
SCHEMBL6841570 0.63 HSD17B10 (0.31)
SCHEMBL8538224 0.62
SCHEMBL9618341 0.59 CA12 (0.65) APEX1KDM4ECA12CA9KMT2A
SCHEMBL13088961 0.59 NOTUM (0.47) APEX1KDM4ECA12CA9KMT2A
SCHEMBL21085910 0.58 DRD1 (0.37) KDM4EKMT2APOLBCYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4136177-A FOR TOPICAL OPHTHALMIC USE, DRUG POTENTIATORS AMERICAN HOME PRODUCTS CORP. (US) 1979-01-23 US claimed
US-5202355-A Administering for diabetic neuropathy TAKASAGO INSTITUTE FOR INTERDISCIPLINARY SCIENCE INC. (US) 1993-04-13 US disclosed
US-4136173-A VEHICLES FOR OPHTHALMIC DRUGS AMERICAN HOME PRODUCTS CORP. (US) 1979-01-23 US disclosed