SCHEMBL9019385

SCHEMBL9019385

COc1ccc(NC(=O)[C@H]2C[C@@H]2F)cn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 7/20 0.55
MEN1 O00255 6/20 0.55
MAPT P10636 3/20 0.55
PABPC1 P11940 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 2/20 0.50

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
SCHEMBL9019395 1.00 RAB9A (0.57) RAB9ANPC1LMNAALDH1A1KDM4E
SCHEMBL9019391 1.00 RAB9A (0.57) RAB9ANPC1LMNAALDH1A1KDM4E
SCHEMBL41767 0.81 KMT2A (0.58) RAB9ANPC1LMNAALDH1A1KDM4E
SCHEMBL29445396 0.81 KMT2A (0.58) RAB9ANPC1LMNAALDH1A1KDM4E
SCHEMBL9019384 0.80 KMT2A (0.53) RAB9ANPC1LMNAALDH1A1KDM4E
SCHEMBL28578766 0.78 KMT2A (0.55) RAB9ANPC1LMNAALDH1A1KDM4E
SCHEMBL9019378 0.77 KMT2A (0.54) RAB9ANPC1LMNAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28638441 0.77 KMT2A (0.53) RAB9ANPC1LMNAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28640915 0.77 KMT2A (0.53) RAB9ANPC1LMNAALDH1A1KDM4E
SCHEMBL26094393 0.76 KMT2A (0.53) RAB9ANPC1LMNAALDH1A1KDM4E

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
EP-0436348-B1 Pyridyl cyclopropane derivatives with fungicidal activity ZENECA LTD (GB) 1996-11-13 EP disclosed
US-5126338-A FUNGICIDES WHICH ARE N-PYRIDYL-CYCLOPROPANE CARBOXAMIDES OR DERIVATIVES THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-30 US disclosed
EP-0436348-A2 Pyridyl cyclopropane derivatives with fungicidal activity ZENECA LIMITED (GB) 1991-07-10 EP disclosed