SCHEMBL9263114

SCHEMBL9263114

O=C(CCn1nc(-c2ccccc2)c2cnccc21)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BTK Q06187 5/20 0.40
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 2/20 0.38
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGIR P43119 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL9257063 0.79 HSD17B10 (0.40) TSHRHSD17B10KDM4EALDH1A1L3MBTL1
SCHEMBL9306122 0.72 HSD17B10 (0.47) TSHRHSD17B10KDM4EALDH1A1L3MBTL1
SCHEMBL9305128 0.72 CYP2D6 (0.50) TSHRHSD17B10KDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8134231 0.71 HSD17B10 (0.46) TSHRHSD17B10KDM4EALDH1A1L3MBTL1
SCHEMBL9303584 0.70 CYP2D6 (0.57) TSHRHSD17B10KDM4EALDH1A1KMT2A
SCHEMBL9304159 0.70 KDM4E (0.40) TSHRHSD17B10KDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8138785 0.69 HSD17B10 (0.50) TSHRHSD17B10KDM4EALDH1A1L3MBTL1
SCHEMBL8141253 0.69 HSD17B10 (0.45) TSHRHSD17B10KDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8135773 0.69 CYP2D6 (0.56) TSHRHSD17B10KDM4EALDH1A1KMT2A
SCHEMBL9254876 0.69 HSD17B10 (0.43) TSHRHSD17B10KDM4EALDH1A1L3MBTL1

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-5428169-A Antidepressants, treating compulsive disorders, stuttering, trichotillomania HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US disclosed
US-5380847-A Reaction of 1-methylpiperidine-4-hydrazine, ketone and titanium isopropoxide to form hydrazone HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1995-01-10 US disclosed
EP-0594001-A1 Pyrazolo 4,3-c pyridines, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-04-27 EP disclosed
US-5296491-A Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-22 US disclosed
US-5264576-A Antiserotonin agents, antidepressants and obsessive-compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-23 US disclosed