SCHEMBL9479271

SCHEMBL9479271

CCC(C(=O)Nc1ccc2ccn(CCCCCCC#N)c2c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HDAC1 Q13547 6/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ELOVL1 Q9BW60 1/20 0.44
KCNQ2 O43526 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43

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
SCHEMBL9481094 0.82 LMNA (0.48) ALDH1A1HDAC1MEN1KMT2ALMNA
SCHEMBL9806749 0.81 HDAC1 (0.41) ALDH1A1HDAC1CRHBPCRHR2MEN1
SCHEMBL9479152 0.79 HDAC3 (0.55) HDAC1LMNASMN1; SMN2KCNQ2HDAC3
SCHEMBL9481922 0.79 HDAC3 (0.55) HDAC1LMNASMN1; SMN2KCNQ2HDAC3
SCHEMBL9479109 0.73 ALDH1A1 (0.51) ALDH1A1HDAC1CRHBPCRHR2MEN1
SCHEMBL9493585 0.71 EPHX2 (0.57) ALDH1A1HDAC1CRHBPCRHR2MEN1
SCHEMBL9480597 0.69 CDK4 (0.74) LMNACYP1A2CYP3A4
SCHEMBL9479598 0.68 HDAC3 (0.59) HDAC1LMNASMN1; SMN2KCNQ2HDAC3
SCHEMBL19074542 0.68 ALDH1A1 (0.82) ALDH1A1HDAC1CRHBPCRHR2MEN1
SCHEMBL7752354 0.68 ALDH1A1 (0.82) ALDH1A1HDAC1CRHBPCRHR2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234942-A Treating allergic pulmonary disorders, asthma ICI AMERICAS INC. (US) 1993-08-10 US disclosed
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP disclosed