SCHEMBL9764594

SCHEMBL9764594

CC(Cc1ccc(Cl)nc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CPB2 Q96IY4 1/20 0.41
MDM2 Q00987 1/20 0.41
GRM2 Q14416 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAPRT Q6XQN6 1/20 0.40

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
SCHEMBL8070370 0.87 ALDH1A1 (0.53) EPHX1ALDH1A1MEN1KMT2AATM
SCHEMBL3067773 0.85 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AATMRAB9A
SCHEMBL17054165 0.81 ALDH1A1 (0.48) EPHX1ALDH1A1MEN1KMT2AATM
SCHEMBL8061099 0.81 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AATMRAB9A
SCHEMBL762459 0.81 RAB9A (0.50) ALDH1A1MEN1KMT2AATMRAB9A
SCHEMBL3824431 0.78 SLC6A2 (0.57)
SCHEMBL4853164 0.77 DAO (0.41) CPB2
SCHEMBL8245704 0.77 ALDH1A1 (0.47) ALDH1A1MAPTL3MBTL1
SCHEMBL762740 0.76 ALDH1A1 (0.49) EPHX1ALDH1A1MEN1KMT2AATM
SCHEMBL5280916 0.75 HSD17B10 (0.57) EPHX1ALDH1A1MEN1KMT2APKM

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-5070097-A MITICIDES ICI AMERICAS INC. (US) 1991-12-03 US disclosed
US-5064846-A Heterocyclic insecticides ICI AMERICAS INC. (US) 1991-11-12 US disclosed
US-4994473-A For plants ICI AMERICAS INC. (US) 1991-02-19 US disclosed
EP-0317259-A2 Heterocyclic insecticides ICI AMERICAS INC. (US) 1989-05-24 EP disclosed