SCHEMBL10656731

SCHEMBL10656731

CC(=O)NC1=NN(c2ccccc2)CC1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.66
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ATM Q13315 3/20 0.44
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 2/20 0.40
G6PD P11413 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10656600 0.92 ABL1 (0.58) ABL1MEN1KMT2AATMHSD17B10
SCHEMBL11059739 0.85 ABL1 (0.49) ABL1MEN1KMT2AHSD17B10KDM4E
SCHEMBL25138507 0.80 ABL1 (1.00) ABL1MAPTSMN1; SMN2
SCHEMBL25703688 0.80 ABL1 (1.00) ABL1MAPTSMN1; SMN2
SCHEMBL11091577 0.79 ABL1 (0.42) ABL1MEN1KMT2AATMHSD17B10
SCHEMBL10959459 0.73 L3MBTL1 (0.40) ABL1MEN1KMT2AATMKDM4E
SCHEMBL972562 0.73 L3MBTL1 (0.43) ABL1MEN1KMT2AATMKDM4E
SCHEMBL11060224 0.71 ABL1 (0.49) ABL1MEN1KMT2AHSD17B10KDM4E
SCHEMBL11059744 0.70 MEN1 (0.66) ABL1MEN1KMT2AHSD17B10KDM4E
SCHEMBL974864 0.70 ABCB11 (0.47) MEN1KMT2AHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0022578-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3-AMINO-PYRAZOLINE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1988-06-29 EP disclosed
US-4556671-A Pharmaceutical formulations BURROUGHS WELLCOME CO. (US) 1985-12-03 US disclosed
US-4530994-A Reduced viscosity Osaka Suda Co Ltd (JP) 1985-07-23 US disclosed
US-4448973-A ANTIINFLAMMATORY, ANALGESIC AGENTS; BACTERICIDES, FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1984-05-15 US disclosed
US-4447442-A ANTIINFLAMMATORY, ANTIARTHRITIC, ANTIHISTAMINE, ANTIALLERGENS, ANALGESICS, BACTERICIDES, AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1984-05-08 US disclosed
EP-0070376-A1 Heterocyclic substituted-amino-pyrazolines AMERICAN CYANAMID COMPANY (US) 1983-01-26 EP disclosed
US-4348527-A ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed
EP-0022578-A1 Pharmaceutical compositions containing 3-Amino-pyrazoline derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1981-01-21 EP disclosed