SCHEMBL9735203

SCHEMBL9735203

Cc1cn(C(C(=O)O)C(C)C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SLC7A5 Q01650 1/20 0.31
TP53 P04637 2/20 0.31
BCL2 P10415 2/20 0.31
MCL1 Q07820 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BCL2L1 Q07817 1/20 0.31
BAK1 Q16611 1/20 0.31
APAF1 O14727 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL9736099 0.71 MAPT (0.47) RAB9AALDH1A1TDP1KDM4ETP53
SCHEMBL31605694 0.67 ACHE (0.37) ALDH1A1
SCHEMBL31605659 0.67 LGALS3 (0.35) RAB9AALDH1A1KDM4EAPAF1LMNA
SCHEMBL27251618 0.65 TSHR (0.32)
SCHEMBL21405129 0.63 ACHE (0.37) RAB9AALDH1A1
SCHEMBL23611618 0.61 NOTUM (0.33) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4940641 0.59 RAB9A (0.64) RAB9AALDH1A1SLC7A5TP53MEN1
SCHEMBL3140636 0.57
SCHEMBL4462014 0.57 TP53 (0.57) ALDH1A1SLC7A5TP53LMNA
SCHEMBL25128241 0.56 GABRA1 (0.32) LMNA

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-5147645-A Insecticides, miticides, nematocides BASF AKTIENGESELLSCHAFT (DE) 1992-09-15 US claimed
US-5147645-A Insecticides, miticides, nematocides BASF AKTIENGESELLSCHAFT (DE) 1992-09-15 US disclosed