SCHEMBL11182907

SCHEMBL11182907

CC1CCC(NC(C=Cc2ccccc2Cl)=NC#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ POLB P06746 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HPGD P15428 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MAOB P27338 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ GSR P00390 1/20 0.35

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
SCHEMBL11182904 1.00 RAB9A (0.48) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL11187459 0.88 RAB9A (0.63) RAB9ANPC1KMT2AMEN1HDAC1
SCHEMBL11187460 0.88 RAB9A (0.63) RAB9ANPC1KMT2AMEN1HDAC1
SCHEMBL11194423 0.83 CNR1 (0.39) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL11179693 0.83 CNR1 (0.39) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL11187443 0.81 USP2 (0.44) RAB9ANPC1KMT2APOLBCYP2C19
SCHEMBL11187447 0.81 USP2 (0.44) RAB9ANPC1KMT2APOLBCYP2C19
Hydrochloric Acid SCHEMBL11182710 0.81 RAB9A (0.51) RAB9ANPC1KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL11182716 0.81 RAB9A (0.51) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL11182910 0.80 NPC1 (0.42) RAB9ANPC1KMT2AMEN1POLB

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
US-4407816-A ANTIULCER KOTOBUKI SEIYAKU COMPANY LIMITED (JP) 1983-10-04 — — US disclosed
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