SCHEMBL28189583

SCHEMBL28189583

[CH2]Cc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPGD P15428 1/20 0.36
▸ RBP4 P02753 1/20 0.30

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
SCHEMBL1829756 0.79 ALOX15 (0.42) ALOX15TP53MAPK1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL23120669 0.79 LOXL2 (0.39) ALOX15TP53MAPK1HSD17B10SMN1; SMN2
SCHEMBL7999472 0.79 ALOX15 (0.39) ALOX15TP53MAPK1HSD17B10SMN1; SMN2
SCHEMBL8448440 0.71 ALOX15 (0.42) ALOX15TP53MAPK1HSD17B10SMN1; SMN2
SCHEMBL10863685 0.71 ALOX15 (0.33) ALOX15TP53MAPK1HSD17B10SMN1; SMN2
SCHEMBL6367872 0.71 TP53 (0.43) ALOX15TP53MAPK1HSD17B10SMN1; SMN2
SCHEMBL28309056 0.71 ALOX15 (0.33) ALOX15TP53MAPK1HSD17B10SMN1; SMN2
SCHEMBL30930296 0.70 ALOX15 (0.37) ALOX15TP53MAPK1HSD17B10SMN1; SMN2
SCHEMBL27797795 0.69 TP53 (0.32) ALOX15TP53MAPK1HSD17B10SMN1; SMN2
SCHEMBL6202182 0.69 CA2 (0.39) ALOX15TP53MAPK1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105408335-B Pyrazolo pyrrolidin derivatives and its purposes in disease is treated 诺华股份有限公司 2017-11-17 — — CN disclosed
Send feedback