SCHEMBL28985372

SCHEMBL28985372

Oc1cc(-n2cccn2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.58
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
G6PD P11413 1/20 0.50
MAPK1 P28482 1/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
KCNH2 Q12809 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TNIK Q9UKE5 1/20 0.43
PDK2 Q15119 1/20 0.43
CAPN1 P07384 1/20 0.42
AVPR2 P30518 1/20 0.42
GRM5 P41594 1/20 0.40
F2 P00734 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
SCHEMBL12989100 0.86 NOTUM (0.58) NOTUMALDH1A1KDM4EMAPTMEN1
SCHEMBL11337325 0.84 NOTUM (0.63) NOTUMALDH1A1KDM4EMAPTMEN1
SCHEMBL24924341 0.79 KDM4E (0.50) NOTUMALDH1A1KDM4EMAPTMEN1
SCHEMBL28687114 0.79 NOTUM (0.58) NOTUMALDH1A1KDM4EMAPTMEN1
SCHEMBL15889933 0.79 MAPT (0.50) NOTUMALDH1A1KDM4EMAPTMEN1
SCHEMBL19260143 0.79 KDM4E (0.50) NOTUMALDH1A1KDM4EMAPTMEN1
SCHEMBL15057189 0.79 NOTUM (0.53) NOTUMALDH1A1KDM4EMAPTMEN1
SCHEMBL18725354 0.79 NOTUM (0.58) NOTUMALDH1A1KDM4EMAPTMEN1
SCHEMBL15476237 0.77 SMN1; SMN2 (0.56) NOTUMALDH1A1KDM4EMAPTMEN1
SCHEMBL1785239 0.76 CAPN1 (0.54) NOTUMALDH1A1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819348-B Process for preparing N-aryl pyrazole compound 曲靖师范学院 2025-03-21 CN disclosed
CN-115819348-A Process for preparing N-arylpyrazole compound 曲靖师范学院 2023-03-21 CN disclosed