SCHEMBL29935643

SCHEMBL29935643

NC(=O)CCc1ccc(Cl)nc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
ALDH1A1 P00352 2/20 0.50
FPR2 P25090 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
EPHX1 P07099 1/20 0.45
CAPN1 P07384 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5012153 0.91 ALDH1A1 (0.49) FFAR1ALDH1A1FPR2EPHX1MEN1
SCHEMBL24867549 0.84 FFAR1 (0.69) FFAR1ALDH1A1P4HTMNAPRT
SCHEMBL8496431 0.82 FFAR1 (0.44) FFAR1ALDH1A1KDM4EGAAMAPT
SCHEMBL5717114 0.82 ALDH1A1 (0.58) FFAR1ALDH1A1P4HTMMEN1KMT2A
SCHEMBL167654 0.81 ALDH1A1 (0.53) ALDH1A1EPHX1MEN1KMT2AATM
SCHEMBL29457418 0.81 ALDH1A1 (0.53) ALDH1A1EPHX1MEN1KMT2AATM
SCHEMBL7747582 0.81 FFAR1 (0.48) FFAR1ALDH1A1P4HTMEPHX1MEN1
Hydrochloric Acid SCHEMBL3536589 0.80 FFAR1 (0.47) FFAR1ALDH1A1P4HTMEPHX1MEN1
SCHEMBL18291270 0.80 GABRP (0.58) ALDH1A1P4HTMCAPN1KDM4E
SCHEMBL3128269 0.79 FPR2 (0.45) FFAR1ALDH1A1FPR2P4HTMCAPN1

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
CN-111246742-B Active ingredient combinations having insecticidal/acaricidal properties 拜耳公司 2022-09-23 CN disclosed