SCHEMBL20037232

SCHEMBL20037232

O=C(O)Cn1ccc2c(F)cccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
KDM4E B2RXH2 3/20 0.46
FABP4 P15090 1/20 0.45
AKR1A1 P14550 2/20 0.44
AKR1B1 P15121 2/20 0.44
STAT3 P40763 1/20 0.44
PPARD Q03181 1/20 0.43
P2RX7 Q99572 1/20 0.43
PRMT5 O14744 1/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2831472 0.87 HTR2A (0.56) KMT2AHTR2AHTR2CPPARGPPARA
SCHEMBL16234637 0.85 HTR2C (0.55) KMT2AHTR2AHTR2CPPARGPPARA
SCHEMBL3169119 0.81 KMT2A (0.57) KMT2AHTR2CPPARGPPARAKDM4E
SCHEMBL3174313 0.80 KMT2A (0.56) KMT2APPARGPPARAKDM4ESTAT3
SCHEMBL13065371 0.80 KMT2A (0.56) KMT2APPARGPPARAKDM4ESTAT3
SCHEMBL12875609 0.80 KMT2A (0.56) KMT2AHTR2AHTR2CPPARGPPARA
SCHEMBL30052151 0.80 KMT2A (0.56) KMT2APPARGPPARAKDM4ESTAT3
SCHEMBL17924282 0.79 ALDH1A1 (0.59) KMT2AHTR2AHTR2CKDM4EALDH1A1
SCHEMBL14487638 0.79 KMT2A (0.46) KMT2APPARGPPARAKDM4EAKR1A1
SCHEMBL15157114 0.76 HTR2C (0.57) KMT2AHTR2CPPARGPPARAKDM4E

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
WO-2025074305-A1 N-(1-(AMINOMETHYL)CYCLOPROPYL)(ARYL OR HETEROARYL) CARBOXAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-04-10 WO disclosed
WO-2018065607-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2018-04-12 WO disclosed
EP-3305781-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum (DE) 2018-04-11 EP disclosed
EP-3305781-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum (DE) 2018-04-11 EP disclosed