SCHEMBL7879672

SCHEMBL7879672

CCCCCNS(=O)(=O)Cc1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MGLL Q99685 2/20 0.48
CYP19A1 P11511 1/20 0.46
MAPT P10636 1/20 0.46
CYP2A6 P11509 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LSS P48449 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL19708884 0.89 CYP19A1 (0.50) ALDH1A1HPGDTSHRHSD17B10MGLL
SCHEMBL24942165 0.82 HRH3 (0.47) ALDH1A1HPGDCYP19A1MAPTCYP2A6
SCHEMBL635209 0.80 ALDH1A1 (0.74) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL634181 0.79 ALDH1A1 (0.72) ALDH1A1HPGDMEN1KMT2ACA12
SCHEMBL635950 0.79 ALDH1A1 (0.72) ALDH1A1HPGDMEN1KMT2ACA12
SCHEMBL635148 0.79 ALDH1A1 (0.72) ALDH1A1HPGDMEN1KMT2ACA12
SCHEMBL8355319 0.79 ALDH1A1 (0.72) ALDH1A1HPGDMEN1KMT2ACA12
SCHEMBL634184 0.79 ALDH1A1 (0.72) ALDH1A1HPGDMEN1KMT2ACA12
SCHEMBL633649 0.79 ALDH1A1 (0.72) ALDH1A1HPGDMEN1KMT2ACA12
SCHEMBL21316577 0.78 TSHR (0.54) ALDH1A1TSHRHSD17B10MGLLCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed