SCHEMBL11117546

SCHEMBL11117546

COc1ccc(Cl)cc1/C(=N\C(C)C)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 3/20 0.40
TSHR P16473 1/20 0.40
KCNMA1 Q12791 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HIF1A Q16665 1/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL11117549 1.00 KMT2A (0.43) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL5990261 0.85 KMT2A (0.46) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL5990255 0.85 KMT2A (0.46) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL11117551 0.80 TSHR (0.44) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL5990108 0.77 NPC1 (0.53) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL10657583 0.68 KMT2A (0.52) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL10661540 0.68 NPC1 (0.46) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL10657588 0.68 KMT2A (0.52) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL7531772 0.68 GRIK1 (0.52) KMT2ALMNAGAANPC1SMN1; SMN2
SCHEMBL10713056 0.67 RORC (0.56) KMT2ALMNAALDH1A1POLBKDM4E

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-4434100-A TRANQUILIZING, ANTICONVULSANTS, ANXIOLYTIC CIBA-GEIGY CORPORATION (US) 1984-02-28 US disclosed
US-4356176-A TRANQUILIZERS, ANTICONVULSANT CIBA-GEIGY CORPORATION (US) 1982-10-26 US disclosed
US-4315926-A ANXIOLYTIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-16 US disclosed