Pyrazole

Pyrazole

SCHEMBL4576298

c1cn[nH]c1.c1cnc2ncccc2c1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.41
AXL P30530 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR1 P32246 4/20 0.38
CCR8 P51685 4/20 0.38
CCR5 P51681 2/20 0.38
MMP2 P08253 2/20 0.38
TSHR P16473 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 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
Phenanthroline SCHEMBL28985719 0.82 LMNA (0.64) ALDH1A1KDM4ELMNAMEN1KMT2A
Quinoline SCHEMBL2027950 0.80 ALDH1A1 (0.65) NUDT1AXLALDH1A1KDM4ELMNA
Naphthalene SCHEMBL338595 0.80 CYP2A6 (0.42) NUDT1AXLALDH1A1HSP90AA1MAPT
SCHEMBL28304525 0.79 CCR1 (0.55) NUDT1AXLALDH1A1KDM4ELMNA
SCHEMBL29354893 0.79 CCR1 (0.55) NUDT1AXLALDH1A1KDM4ELMNA
SCHEMBL8193 0.79 CCR1 (0.55) NUDT1AXLALDH1A1KDM4ELMNA
Quinoline SCHEMBL27662086 0.79 ALDH1A1 (0.63) NUDT1AXLALDH1A1KDM4ELMNA
Quinoline SCHEMBL28561469 0.79 ALDH1A1 (0.63) NUDT1AXLALDH1A1KDM4ELMNA
SCHEMBL10630210 0.77 CCR1 (0.52) NUDT1AXLALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL3704753 0.77 CCR1 (0.52) NUDT1AXLALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300147-A1 Detection and Treatment of Fibrotic Disorders UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2008-12-04 US claimed
WO-2005098041-A2 DETECTION AND TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2005-10-20 WO claimed
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 CN disclosed
US-20080300147-A1 Detection and Treatment of Fibrotic Disorders UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2008-12-04 US disclosed
WO-2005098041-A2 DETECTION AND TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2005-10-20 WO disclosed